CAS 387350-46-1: 4-(Methylsulfonyl)benzenepropanoic acid

Description: 4-(Methylsulfonyl)benzenepropanoic acid, identified by its CAS number 387350-46-1, is an organic compound characterized by the presence of a benzene ring substituted with a methylsulfonyl group and a propanoic acid moiety. This compound typically exhibits properties associated with both aromatic and aliphatic structures, contributing to its potential solubility in polar solvents. The methylsulfonyl group enhances its reactivity and may influence its biological activity, making it of interest in pharmaceutical research. The carboxylic acid functional group imparts acidic characteristics, allowing for proton donation in aqueous solutions. Additionally, the compound may exhibit moderate to high melting and boiling points due to the presence of strong intermolecular forces, such as hydrogen bonding, particularly in its acid form. Its structural features suggest potential applications in medicinal chemistry, particularly in the development of anti-inflammatory or analgesic agents. As with many organic compounds, safety data should be consulted to understand its handling and toxicity profiles.

Formula: C₁₀H₁₂O₄S

InChI: InChI=1S/C10H12O4S/c1-15(13,14)9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)

InChI key: InChIKey=ZZZBVBATZOAPQB-UHFFFAOYSA-N

SMILES: O=C(O)CCC1=CC=C(C=C1)S(=O)(=O)C

Synonyms:

• 4-(Methylsulfonyl)benzenepropanoic acid
• 4-Methylsulfonylbenzenepropanoic acid
• Benzenepropanoic acid, 4-(methylsulfonyl)-
• 3-[4-(Methylsulfonyl)phenyl]propanoic acid

Benzenepropanoic acid, 4-(methylsulfonyl)-

CAS: 387350-46-1

• Formula: C₁₀H₁₂O₄S
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 228.2649

3-[4-(Methylsulfonyl)phenyl]propanoic acid

CAS: 387350-46-1

• Purity: 95.0%
• Color and Shape: Solid
• Molecular weight: 228.25999450683594

3-[4-(Methylsulphonyl)phenyl]propanoic acid

CAS: 387350-46-1

• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 228.26g/mol

3-[4-(methylsulfonyl)phenyl]propanoic acid

CAS: 387350-46-1

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• Formula: C₁₀H₁₂SO₄
• Purity: Min. 95%
• Molecular weight: 228.27 g/mol